1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one

C16H24N4O2 — CID 39754166

IUPAC1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one
SMILESO=C(CCN1CCCO1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C16H24N4O2/c21-15(6-9-20-7-2-10-22-20)19-8-5-14-13(11-19)16(18-17-14)12-3-1-4-12/h12H,1-11H2,(H,17,18)
InChIKeyHCUHPJGMNDOFPT-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.59
Rot. Bonds4

About 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one

1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one (PubChem CID 39754166) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one
PubChem CID39754166
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one
SMILESO=C(CCN1CCCO1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C16H24N4O2/c21-15(6-9-20-7-2-10-22-20)19-8-5-14-13(11-19)16(18-17-14)12-3-1-4-12/h12H,1-11H2,(H,17,18)
InChIKeyHCUHPJGMNDOFPT-UHFFFAOYSA-N
XLogP1.59
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one?
The IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one (CID 39754166) is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one?
The canonical SMILES for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one is O=C(CCN1CCCO1)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one?
The InChIKey is HCUHPJGMNDOFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(6-9-20-7-2-10-22-20)19-8-5-14-13(11-19)16(18-17-14)12-3-1-4-12/h12H,1-11H2,(H,17,18).
What are the key properties of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one?
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1,2-oxazolidin-2-yl)propan-1-one is sourced from PubChem (CID 39754166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).